CID 3056069

4-pteridinamine, 7-(4-(dimethylamino)phenyl)-

Structural Information

Molecular Formula
C14H14N6
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=C3C(=NC=NC3=N2)N
InChI
InChI=1S/C14H14N6/c1-20(2)10-5-3-9(4-6-10)11-7-16-12-13(15)17-8-18-14(12)19-11/h3-8H,1-2H3,(H2,15,17,18,19)
InChIKey
BBMVWQGQKWFSQH-UHFFFAOYSA-N
Compound name
7-[4-(dimethylamino)phenyl]pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

266.128 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.135276 163.0
[M+Na]+ 289.117218 172.4
[M-H]- 265.120724 166.7
[M+NH4]+ 284.161823 174.9
[M+K]+ 305.091158 167.3
[M+H-H2O]+ 249.125260 151.9
[M+HCOO]- 311.126201 183.5
[M+CH3COO]- 325.141851 173.9
[M+Na-2H]- 287.102666 171.7
[M]+ 266.12745142 162.9
[M]- 266.12854858 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe